3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one

C20H29FN2O — CID 56740269

IUPAC3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one
SMILESCN1CCCC2(CC1)CCN(C(=O)CCc1ccccc1F)CC2
InChIInChI=1S/C20H29FN2O/c1-22-13-4-9-20(10-14-22)11-15-23(16-12-20)19(24)8-7-17-5-2-3-6-18(17)21/h2-3,5-6H,4,7-16H2,1H3
InChIKeyMLZGZNILTSXGSQ-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.48
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one

3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one (PubChem CID 56740269) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one
PubChem CID56740269
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one
SMILESCN1CCCC2(CC1)CCN(C(=O)CCc1ccccc1F)CC2
InChIInChI=1S/C20H29FN2O/c1-22-13-4-9-20(10-14-22)11-15-23(16-12-20)19(24)8-7-17-5-2-3-6-18(17)21/h2-3,5-6H,4,7-16H2,1H3
InChIKeyMLZGZNILTSXGSQ-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one (CID 56740269) is 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one is CN1CCCC2(CC1)CCN(C(=O)CCc1ccccc1F)CC2.
What is the InChIKey of 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one?
The InChIKey is MLZGZNILTSXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-22-13-4-9-20(10-14-22)11-15-23(16-12-20)19(24)8-7-17-5-2-3-6-18(17)21/h2-3,5-6H,4,7-16H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one?
3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one has a molecular weight of 332.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)propan-1-one is sourced from PubChem (CID 56740269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).